N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

C17H25BrN4O3S — CID 55816046

IUPACN-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CCCN(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)C1
InChIInChI=1S/C17H25BrN4O3S/c1-13-4-2-8-21(11-13)26(24,25)22-9-3-5-14(12-22)17(23)20-16-7-6-15(18)10-19-16/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3,(H,19,20,23)
InChIKeyFCMQHNJCLNSWDZ-UHFFFAOYSA-N
MW445.38 g/mol
LogP2.47
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 55816046) has the molecular formula C17H25BrN4O3S and a molecular weight of 445.38 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
PubChem CID55816046
Molecular FormulaC17H25BrN4O3S
Molecular Weight445.38 g/mol
Exact Mass444.08
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CCCN(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)C1
InChIInChI=1S/C17H25BrN4O3S/c1-13-4-2-8-21(11-13)26(24,25)22-9-3-5-14(12-22)17(23)20-16-7-6-15(18)10-19-16/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3,(H,19,20,23)
InChIKeyFCMQHNJCLNSWDZ-UHFFFAOYSA-N
XLogP2.47
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide
CID 55992546
(3R)-1-(4-bromophenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 26028129
N-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55815983
N-(5-bromo-2-pyridinyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-3-carboxamide
CID 60542624
1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858588
(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
CID 95761683
N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide
CID 56549938
N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 60523047
1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
CID 55930745
methyl 4-[(3S)-3-[(5-bromo-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]benzoate
CID 51960685
1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 43042605
N-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55363461

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (CID 55816046) is N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is CC1CCCN(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)C1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is FCMQHNJCLNSWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN4O3S/c1-13-4-2-8-21(11-13)26(24,25)22-9-3-5-14(12-22)17(23)20-16-7-6-15(18)10-19-16/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3,(H,19,20,23).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 445.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55816046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).